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[ CAS No. 1308298-23-8 ]

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2D
Chemical Structure| 1308298-23-8
Chemical Structure| 1308298-23-8
Structure of 1308298-23-8 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1308298-23-8 ]

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Related Doc. of [ 1308298-23-8 ]

SDS

Product Details of [ 1308298-23-8 ]

CAS No. :1308298-23-8MDL No. :MFCD10696932
Formula : C5H4BF3N2O2 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :191.90Pubchem ID :55263556
Synonyms :

Computed Properties of [ 1308298-23-8 ]

TPSA : 66.2 H-Bond Acceptor Count : 7
XLogP3 : - H-Bond Donor Count : 2
SP3 : 0.20 Rotatable Bond Count : 1

Safety of [ 1308298-23-8 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P280-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1308298-23-8 ]

  • Upstream synthesis route of [ 1308298-23-8 ]
  • Downstream synthetic route of [ 1308298-23-8 ]

[ 1308298-23-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 799557-86-1 ]
  • [ 5419-55-6 ]
  • [ 1308298-23-8 ]
YieldReaction ConditionsOperation in experiment
67.2% With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 2.00 h; Inert atmosphere To a solution of 5-bromo-2-(trifluoromethyl)pyrimidine (700.6 mg, 3.1mmol) and(iPrO)3B (1.1 mL, 4.7mmol) in THF (10 mL) was added dropwise n-BuLi (1.7 mL , 2.4M in hexane, 4.0 mmol) at -78oC. The mixture was stirred at the same temperature for 2 h and quenched with water. The solvent was removed under reduced pressure and the residue was extracted with Ether (2 x 40 mL). The aqueous layer was separated, then adjusted to pH 6 with 1N HCl and extracted with EA (3 x 40 mL). Combined organic layers were washed with brine, dried over Na2SO4, and concentrated to give the title product (400 mg, 67.2percent yield) as a white solid. Retention time (LC-MS): 0.66 min. MH+ 193
Reference: [1] Patent: WO2016/44792, 2016, A1. Location in patent: Page/Page column 105; 106
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